#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 n GLN 2 N 0.00 -2.76 -3.36 1.43 10.64 -1.26 -4.92 117.38 117.15 1gm0 n GLN 2 Ca 0.00 2.03 -0.26 0.00 -1.83 0.00 0.00 57.00 56.93 1gm0 n GLN 2 Cb 0.00 -3.30 -0.09 0.00 -0.86 0.00 0.00 30.24 25.98 1gm0 n GLN 2 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1gm0 n GLU 3 N -4.08 0.31 -4.00 2.61 -0.58 -1.26 -4.94 120.64 108.70 1gm0 n GLU 3 Ca -0.03 -3.20 -0.34 0.00 -0.42 0.00 0.00 57.16 53.17 1gm0 n GLU 3 Cb 0.60 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.86 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1gm0 n VAL 4 N 2.55 -1.69 -1.58 2.62 0.31 -1.26 -4.85 118.33 114.44 1gm0 n VAL 4 Ca 0.28 -0.45 0.07 0.00 -0.01 0.00 0.00 64.34 64.23 1gm0 n VAL 4 Cb 0.49 -1.47 0.15 0.00 -0.91 0.00 0.00 33.84 32.10 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1gm0 n MET 5 N -4.13 1.17 0.00 5.55 0.00 -1.26 -4.95 117.12 113.49 1gm0 n MET 5 Ca -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 57.70 54.82 1gm0 n MET 5 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.40 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1gm0 n LYS 6 N -0.93 -0.56 -0.82 3.17 4.76 -1.26 -5.01 118.16 117.51 1gm0 n LYS 6 Ca 0.15 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 1gm0 n LYS 6 Cb 0.73 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 34.03 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1gm0 n ASN 7 N -1.58 -2.95 -2.69 4.39 2.04 -1.26 -4.79 115.26 108.42 1gm0 n ASN 7 Ca 0.00 0.19 -0.04 0.00 -0.44 0.00 0.00 54.58 54.29 1gm0 n ASN 7 Cb 0.00 -1.03 -0.03 0.00 -2.53 0.00 0.00 39.78 36.19 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1gm0 n LEU 8 N -0.19 -5.62 0.00 -4.53 -0.00 -1.26 -4.97 117.00 100.43 1gm0 n LEU 8 Ca 0.03 1.98 -0.18 0.00 -0.00 0.00 0.00 56.01 57.84 1gm0 n LEU 8 Cb 0.57 -2.78 -0.09 0.00 -0.00 0.00 0.00 43.42 41.11 1gm0 n LEU 8 CO 0.51 -3.61 0.23 0.28 -0.00 0.00 0.00 177.39 174.80 1gm0 h SER 9 N 4.40 0.77 -2.75 1.96 0.02 -1.93 -3.45 113.55 112.57 1gm0 h SER 9 Ca -0.37 -0.69 -0.36 0.00 -0.84 0.00 0.00 61.79 59.53 1gm0 h SER 9 Cb 0.84 -0.23 0.20 0.00 0.14 0.00 0.00 62.40 63.35 1gm0 h SER 9 CO 0.01 1.35 -0.23 0.18 -1.14 0.00 0.00 176.83 177.00 1gm0 n LEU 10 N -4.05 -0.99 -3.60 5.07 4.77 -1.26 -4.98 117.00 111.96 1gm0 n LEU 10 Ca -0.09 -0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 54.98 1gm0 n LEU 10 Cb 0.73 -1.01 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1gm0 n LEU 10 CO 0.51 -4.01 0.33 -3.20 -1.33 0.00 0.00 177.39 169.69 1gm0 n ASN 11 N -4.53 4.39 0.05 -1.43 2.85 -1.18 -4.89 115.26 110.52 1gm0 n ASN 11 Ca 0.09 -3.42 -0.05 0.00 -0.11 0.00 0.00 54.58 51.08 1gm0 n ASN 11 Cb 0.54 -0.83 0.14 0.00 1.24 0.00 0.00 39.78 40.88 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1gm0 h PHE 12 N 4.58 0.45 -0.95 1.20 -1.00 -1.91 -3.27 116.94 116.04 1gm0 h PHE 12 Ca 0.20 -0.14 0.08 0.00 2.81 0.00 0.00 57.97 60.92 1gm0 h PHE 12 Cb 0.66 -0.09 -0.07 0.00 3.61 0.00 0.00 35.95 40.06 1gm0 h PHE 12 CO 0.79 0.78 0.59 0.78 -1.61 0.00 0.00 178.31 179.64 1gm0 h GLY 13 N 1.22 1.47 0.61 -1.45 0.00 -1.97 -0.77 103.07 102.19 1gm0 h GLY 13 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1gm0 h GLY 13 CO 0.08 0.24 -0.29 0.50 0.00 0.00 0.00 176.54 177.07 1gm0 h LYS 14 N 1.03 -0.79 -0.88 4.80 1.79 -1.94 -2.65 116.57 117.92 1gm0 h LYS 14 Ca 0.43 0.05 0.14 0.00 -2.18 0.00 0.00 60.65 59.10 1gm0 h LYS 14 Cb 0.28 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 31.04 1gm0 h LYS 14 CO -0.21 -0.53 0.57 0.00 -1.08 0.00 0.00 179.45 178.20 1gm0 h ALA 15 N -1.42 1.86 -0.68 3.86 0.00 -1.57 0.02 119.26 121.33 1gm0 h ALA 15 Ca -0.08 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1gm0 h ALA 15 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1gm0 h ALA 15 CO 0.14 -0.10 0.12 -0.07 0.00 0.00 0.00 179.25 179.34 1gm0 h LEU 16 N 0.66 1.08 -1.09 0.00 3.38 -1.18 0.15 115.31 118.31 1gm0 h LEU 16 Ca 0.44 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1gm0 h LEU 16 Cb 0.74 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1gm0 h LEU 16 CO -0.20 1.06 0.00 -0.67 0.09 0.00 0.00 178.44 178.72 1gm0 n ASP 17 N -4.21 0.51 -0.08 -0.43 2.03 -0.02 -0.68 116.55 113.66 1gm0 n ASP 17 Ca 0.05 0.71 -0.15 0.00 0.52 0.00 0.00 54.79 55.92 1gm0 n ASP 17 Cb 0.29 -0.78 -0.06 0.00 -0.72 0.00 0.00 41.12 39.85 1gm0 n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gm0 n GLU 18 N -2.15 0.35 -0.13 -0.67 1.02 -0.96 -4.46 120.64 113.63 1gm0 n GLU 18 Ca -0.00 0.13 0.06 0.00 -0.02 0.00 0.00 57.16 57.32 1gm0 n GLU 18 Cb 0.07 -1.14 0.38 0.00 -0.02 0.00 0.00 31.44 30.74 1gm0 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gm0 n LYS 20 N -4.47 0.01 -0.09 0.00 -0.00 0.14 -2.08 118.16 111.67 1gm0 n LYS 20 Ca 0.09 0.40 -0.22 0.00 -0.00 0.00 0.00 58.31 58.57 1gm0 n LYS 20 Cb 0.19 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.60 1gm0 n LYS 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1gm0 n LYS 21 N -1.48 0.65 0.23 -1.58 5.02 0.43 -3.13 118.16 118.30 1gm0 n LYS 21 Ca 0.01 0.30 0.16 0.00 -2.02 0.00 0.00 58.31 56.76 1gm0 n LYS 21 Cb 0.06 -1.62 0.74 0.00 -0.02 0.00 0.00 35.03 34.19 1gm0 n LYS 21 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1gm0 h GLU 22 N -0.39 0.00 -0.02 1.97 5.08 -1.03 -1.63 114.58 118.56 1gm0 h GLU 22 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1gm0 h GLU 22 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1gm0 h GLU 22 CO -0.13 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.55 1gm0 n MET 23 N -2.68 -0.03 -3.18 2.33 0.00 -1.22 -5.02 117.12 107.32 1gm0 n MET 23 Ca -0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 57.70 56.67 1gm0 n MET 23 Cb 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 33.22 32.28 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1gm0 n THR 24 N 0.32 -1.51 -0.91 2.03 -1.04 -0.62 -5.01 114.28 107.55 1gm0 n THR 24 Ca 0.04 -0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 1gm0 n THR 24 Cb 0.16 -1.34 0.15 0.00 -1.82 0.00 0.00 70.33 67.47 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1gm0 n LEU 25 N -1.63 0.00 0.00 -4.42 4.77 -1.18 -5.05 117.00 109.48 1gm0 n LEU 25 Ca -0.15 -0.71 -0.22 0.00 -0.03 0.00 0.00 56.01 54.90 1gm0 n LEU 25 Cb 0.33 -0.60 0.18 0.00 -2.33 0.00 0.00 43.42 41.00 1gm0 n LEU 25 CO 0.31 -1.63 0.48 0.35 -1.33 0.00 0.00 177.39 175.57 1gm0 n THR 26 N -3.82 0.00 0.13 -5.08 -2.24 -1.26 -4.96 114.28 97.05 1gm0 n THR 26 Ca 0.09 -0.41 0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1gm0 n THR 26 Cb 0.35 -1.24 0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1gm0 n THR 26 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1gm0 h ASP 27 N -2.13 0.00 0.00 3.42 3.58 -1.98 -3.42 116.42 115.89 1gm0 h ASP 27 Ca -0.31 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.54 1gm0 h ASP 27 Cb 0.92 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.00 1gm0 h ASP 27 CO 0.20 0.17 3.48 0.00 -2.88 0.00 0.00 179.24 180.22 1gm0 n ALA 28 N -2.20 6.66 0.00 -0.78 0.00 -1.26 -3.61 120.51 119.32 1gm0 n ALA 28 Ca -0.00 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1gm0 n ALA 28 Cb 0.62 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1gm0 n ALA 28 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1gm0 n ILE 29 N 3.91 0.00 -0.10 0.00 -6.64 -1.26 -4.51 119.36 110.76 1gm0 n ILE 29 Ca 0.68 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 61.56 1gm0 n ILE 29 Cb 0.22 -0.23 -0.03 0.00 -1.44 0.00 0.00 39.64 38.16 1gm0 n ILE 29 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 1gm0 h ASN 30 N 0.00 0.45 0.12 7.28 -1.24 -1.94 -1.58 115.58 118.66 1gm0 h ASN 30 Ca 0.00 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 1gm0 h ASN 30 Cb 0.37 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1gm0 h ASN 30 CO 0.00 0.55 -0.06 -0.33 -1.29 0.00 0.00 177.43 176.30 1gm0 h GLU 31 N 0.33 -0.15 -0.74 6.67 4.39 -1.89 -3.35 114.58 119.83 1gm0 h GLU 31 Ca 0.10 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.95 1gm0 h GLU 31 Cb 0.26 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1gm0 h GLU 31 CO -0.00 0.30 0.50 -0.44 -1.16 0.00 0.00 179.01 178.21 1gm0 h ASP 32 N -0.91 0.37 -0.21 1.42 5.19 -1.77 0.26 116.42 120.76 1gm0 h ASP 32 Ca -0.02 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1gm0 h ASP 32 Cb 0.53 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1gm0 h ASP 32 CO 0.03 0.19 0.03 0.15 -3.12 0.00 0.00 179.24 176.52 1gm0 h PHE 33 N 0.40 0.38 -0.11 4.55 3.57 -1.45 -1.15 116.94 123.13 1gm0 h PHE 33 Ca 0.36 -0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 1gm0 h PHE 33 Cb 0.85 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1gm0 h PHE 33 CO -0.00 0.50 -0.66 1.88 -2.23 0.00 0.00 178.31 177.80 1gm0 h TYR 34 N 0.15 0.58 0.00 0.41 -1.99 -1.34 -3.18 116.97 111.61 1gm0 h TYR 34 Ca 0.06 -0.23 -0.03 0.00 2.00 0.00 0.00 58.73 60.53 1gm0 h TYR 34 Cb 0.32 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.95 1gm0 h TYR 34 CO 0.02 0.97 -0.16 -0.91 -0.00 0.00 0.00 178.16 178.08 1gm0 h ASN 35 N 0.32 0.00 -0.86 3.88 2.35 -0.88 -2.95 115.58 117.44 1gm0 h ASN 35 Ca -0.02 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.92 1gm0 h ASN 35 Cb 1.21 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.52 1gm0 h ASN 35 CO 0.11 0.16 0.57 0.15 -1.65 0.00 0.00 177.43 176.77 1gm0 h PHE 36 N 0.00 0.56 0.00 1.19 3.57 -1.18 -0.53 116.94 120.55 1gm0 h PHE 36 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1gm0 h PHE 36 Cb 0.55 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1gm0 h PHE 36 CO 0.00 0.17 0.00 -1.49 -2.23 0.00 0.00 178.31 174.76 1gm0 h TRP 37 N 0.44 0.00 -4.01 0.41 6.55 -1.72 -3.41 115.95 114.21 1gm0 h TRP 37 Ca 0.44 0.00 -0.49 0.00 0.95 0.00 0.00 58.89 59.79 1gm0 h TRP 37 Cb 1.03 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 29.36 1gm0 h TRP 37 CO -0.00 0.00 0.42 0.15 -1.05 0.00 0.00 178.44 177.96 1gm0 s LYS 38 N -3.32 3.90 0.53 0.49 1.02 -0.21 -5.01 119.74 117.14 1gm0 s LYS 38 Ca 0.06 1.55 -0.21 0.00 0.02 0.00 0.00 55.97 57.38 1gm0 s LYS 38 Cb 0.08 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.99 1gm0 s LYS 38 CO 0.58 -0.37 1.23 -1.21 -0.92 0.00 0.00 175.35 174.66 1gm0 s GLU 39 N -2.80 3.33 -0.01 1.68 8.01 -1.26 -2.85 118.70 124.80 1gm0 s GLU 39 Ca 0.63 1.91 0.00 0.00 0.01 0.00 0.00 54.97 57.52 1gm0 s GLU 39 Cb -0.22 -2.20 0.00 0.00 -4.31 0.00 0.00 34.13 27.39 1gm0 s GLU 39 CO 0.27 -0.94 0.00 0.41 0.01 0.00 0.00 175.26 175.01 1gm0 n GLY 40 N 0.53 0.26 3.44 -1.39 0.00 -1.26 -5.01 105.19 101.76 1gm0 n GLY 40 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gm0 s TYR 41 N -1.50 2.47 -0.42 1.61 2.02 -1.13 -5.08 117.35 115.32 1gm0 s TYR 41 Ca 0.00 -0.30 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 1gm0 s TYR 41 Cb 0.00 -1.38 0.29 0.00 -0.40 0.00 0.00 41.96 40.47 1gm0 s TYR 41 CO 0.00 0.29 0.65 -1.91 -1.57 0.00 0.00 175.55 173.01 1gm0 n GLU 42 N 1.23 1.16 -2.44 -0.62 2.13 -1.26 -4.82 120.64 116.02 1gm0 n GLU 42 Ca -0.16 -3.53 -0.41 0.00 0.66 0.00 0.00 57.16 53.71 1gm0 n GLU 42 Cb 0.52 -1.56 -0.01 0.00 0.27 0.00 0.00 31.44 30.66 1gm0 n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1gm0 n ILE 43 N 0.84 3.63 -2.67 6.31 -0.00 -1.26 -4.78 119.36 121.43 1gm0 n ILE 43 Ca 0.24 -3.73 -0.28 0.00 -0.00 0.00 0.00 62.75 58.97 1gm0 n ILE 43 Cb 0.55 -2.34 -0.02 0.00 -0.00 0.00 0.00 39.64 37.84 1gm0 n ILE 43 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1gm0 n LYS 44 N 8.21 3.41 -4.32 0.38 5.02 -1.26 -4.89 118.16 124.72 1gm0 n LYS 44 Ca 0.49 -4.63 -0.30 0.00 -2.02 0.00 0.00 58.31 51.84 1gm0 n LYS 44 Cb 0.46 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.17 1gm0 n LYS 44 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gm0 s ASN 45 N -3.29 4.40 0.08 4.39 4.22 -1.26 -5.07 114.94 118.41 1gm0 s ASN 45 Ca 0.48 -1.48 -0.35 0.00 -2.14 0.00 0.00 52.86 49.37 1gm0 s ASN 45 Cb 0.34 0.57 -0.18 0.00 1.28 0.00 0.00 41.25 43.26 1gm0 s ASN 45 CO -0.18 -1.03 1.58 0.03 -2.04 0.00 0.00 177.10 175.46 1gm0 h ARG 46 N 0.99 -1.02 -0.08 3.55 3.08 -1.94 -3.18 114.38 115.78 1gm0 h ARG 46 Ca -0.40 0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.74 1gm0 h ARG 46 Cb 1.32 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.59 1gm0 h ARG 46 CO 0.65 -0.68 0.06 0.93 -1.07 0.00 0.00 179.97 179.86 1gm0 h GLU 47 N -1.06 0.00 0.16 0.04 3.07 -1.97 0.53 114.58 115.35 1gm0 h GLU 47 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1gm0 h GLU 47 Cb 0.87 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 1gm0 h GLU 47 CO 0.05 0.00 -0.17 1.15 -1.40 0.00 0.00 179.01 178.64 1gm0 h THR 48 N 0.00 0.62 0.00 1.13 2.02 -1.90 0.10 112.91 114.89 1gm0 h THR 48 Ca 0.04 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 1gm0 h THR 48 Cb 0.16 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1gm0 h THR 48 CO -0.00 0.00 -0.28 1.23 0.37 0.00 0.00 175.52 176.84 1gm0 h GLY 49 N -0.37 0.00 0.99 2.16 0.00 -1.01 -1.59 103.07 103.26 1gm0 h GLY 49 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1gm0 h GLY 49 CO -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.48 1gm0 h ALA 51 N 0.91 -0.02 -0.24 0.00 0.00 -0.30 0.26 119.26 119.87 1gm0 h ALA 51 Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1gm0 h ALA 51 Cb 0.51 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1gm0 h ALA 51 CO 0.03 -0.49 -0.21 0.82 0.00 0.00 0.00 179.25 179.39 1gm0 h ILE 52 N -0.05 0.44 -0.08 0.00 2.04 -1.22 0.78 117.51 119.43 1gm0 h ILE 52 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1gm0 h ILE 52 Cb 0.05 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1gm0 h ILE 52 CO 0.00 0.00 -0.04 -0.03 0.00 0.00 0.00 178.15 178.08 1gm0 h MET 53 N -0.22 -0.04 -0.43 2.37 4.05 -0.53 -0.57 114.93 119.56 1gm0 h MET 53 Ca 0.14 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1gm0 h MET 53 Cb 0.42 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1gm0 h MET 53 CO -0.36 -0.03 -0.04 0.00 0.23 0.00 0.00 176.91 176.71 1gm0 h LEU 55 N 0.67 0.00 0.00 0.00 3.38 -0.16 -1.64 115.31 117.56 1gm0 h LEU 55 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gm0 h LEU 55 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1gm0 h LEU 55 CO 0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1gm0 n SER 56 N -2.87 0.00 -2.22 -0.43 3.41 -0.29 -2.29 113.62 108.93 1gm0 n SER 56 Ca -0.00 0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1gm0 n SER 56 Cb 0.22 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1gm0 n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1gm0 n THR 57 N -1.43 2.03 -1.73 6.66 5.66 -0.62 -4.64 114.28 120.22 1gm0 n THR 57 Ca 0.04 -3.67 0.02 0.00 -3.05 0.00 0.00 64.05 57.40 1gm0 n THR 57 Cb 0.13 -0.23 0.03 0.00 -1.55 0.00 0.00 70.33 68.72 1gm0 n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1gm0 n LYS 58 N -0.66 0.33 -0.27 1.09 4.76 -0.97 -4.93 118.16 117.52 1gm0 n LYS 58 Ca 0.30 -1.38 0.06 0.00 -2.87 0.00 0.00 58.31 54.42 1gm0 n LYS 58 Cb 0.91 -0.75 0.29 0.00 -1.84 0.00 0.00 35.03 33.64 1gm0 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1gm0 h LEU 59 N 0.00 0.80 -2.37 -0.35 3.38 -1.82 -0.63 115.31 114.32 1gm0 h LEU 59 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1gm0 h LEU 59 Cb 1.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1gm0 h LEU 59 CO 0.00 0.49 -0.03 -0.55 0.09 0.00 0.00 178.44 178.44 1gm0 h ASN 60 N 0.90 0.00 0.36 -0.43 -1.07 -1.84 0.44 115.58 113.93 1gm0 h ASN 60 Ca 0.38 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.43 1gm0 h ASN 60 Cb 0.32 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.54 1gm0 h ASN 60 CO -0.15 0.03 -1.74 0.24 0.07 0.00 0.00 177.43 175.88 1gm0 h MET 61 N 0.00 0.17 0.22 4.14 2.86 -1.52 -3.33 114.93 117.46 1gm0 h MET 61 Ca -0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1gm0 h MET 61 Cb 0.09 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1gm0 h MET 61 CO 0.00 0.94 -0.10 -0.07 1.06 0.00 0.00 176.91 178.74 1gm0 h LEU 62 N 0.05 -0.25 -7.53 1.22 3.38 -1.10 -3.41 115.31 107.67 1gm0 h LEU 62 Ca -0.32 -0.26 -0.70 0.00 0.09 0.00 0.00 57.88 56.69 1gm0 h LEU 62 Cb 2.02 0.06 -0.35 0.00 0.09 0.00 0.00 40.66 42.48 1gm0 h LEU 62 CO 0.11 0.18 -0.30 -0.62 0.09 0.00 0.00 178.44 177.90 1gm0 s ASP 63 N -5.28 5.40 0.38 -0.43 2.15 0.11 -3.10 116.67 115.90 1gm0 s ASP 63 Ca -0.14 -3.00 0.15 0.00 0.43 0.00 0.00 52.55 49.98 1gm0 s ASP 63 Cb 0.02 -1.88 0.75 0.00 -0.30 0.00 0.00 42.92 41.51 1gm0 s ASP 63 CO 0.54 -0.34 1.82 1.55 -0.17 0.00 0.00 175.17 178.57 1gm0 h PRO 64 N 6.87 0.00 0.00 4.34 0.13 -1.79 -2.67 132.00 138.88 1gm0 h PRO 64 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1gm0 h PRO 64 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1gm0 h PRO 64 CO 0.73 0.37 -0.02 0.93 -0.23 0.00 0.00 178.00 179.79 1gm0 h GLU 65 N 0.00 0.00 -1.35 0.86 5.08 -1.92 -3.47 114.58 113.78 1gm0 h GLU 65 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gm0 h GLU 65 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1gm0 h GLU 65 CO 0.05 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1gm0 n GLY 66 N -1.29 0.65 0.00 -3.84 0.00 -1.01 -5.01 105.19 94.70 1gm0 n GLY 66 Ca -0.03 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.60 1gm0 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gm0 n ASN 67 N -0.02 0.91 -4.40 1.61 3.02 -1.26 -4.92 115.26 110.20 1gm0 n ASN 67 Ca 0.00 -0.61 -0.35 0.00 -0.03 0.00 0.00 54.58 53.59 1gm0 n ASN 67 Cb 0.42 1.22 -0.13 0.00 -0.61 0.00 0.00 39.78 40.68 1gm0 n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1gm0 s LEU 68 N -3.14 3.15 0.17 3.41 2.96 -1.26 -4.02 118.68 119.94 1gm0 s LEU 68 Ca 0.02 -0.27 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1gm0 s LEU 68 Cb 0.11 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1gm0 s LEU 68 CO 0.65 0.02 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.56 1gm0 s HIS 69 N 1.25 1.55 -0.49 5.38 3.76 0.24 -4.71 115.29 122.26 1gm0 s HIS 69 Ca 0.03 -0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 54.07 1gm0 s HIS 69 Cb -0.15 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.79 1gm0 s HIS 69 CO 0.01 0.24 1.51 -1.58 -0.85 0.00 0.00 174.74 174.07 1gm0 s HIS 70 N -2.72 2.19 0.00 1.40 2.46 -1.26 -1.59 115.29 115.77 1gm0 s HIS 70 Ca 0.17 0.59 0.00 0.00 0.47 0.00 0.00 55.06 56.28 1gm0 s HIS 70 Cb -0.02 -4.30 0.00 0.00 -0.13 0.00 0.00 32.58 28.13 1gm0 s HIS 70 CO 0.04 -2.14 0.00 0.41 -2.47 0.00 0.00 174.74 170.58 1gm0 n GLY 71 N 5.27 0.60 2.77 1.59 0.00 -0.36 -5.03 105.19 110.02 1gm0 n GLY 71 Ca 0.16 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1gm0 n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gm0 s ASN 72 N -2.15 1.41 0.00 1.61 3.84 -0.62 -4.97 114.94 114.05 1gm0 s ASN 72 Ca 0.00 -0.42 0.03 0.00 0.21 0.00 0.00 52.86 52.68 1gm0 s ASN 72 Cb 0.00 0.52 0.07 0.00 -0.55 0.00 0.00 41.25 41.29 1gm0 s ASN 72 CO 0.00 -0.35 1.00 0.00 -2.79 0.00 0.00 177.10 174.96 1gm0 n ALA 73 N 5.32 2.10 0.08 1.71 0.00 -1.26 -0.59 120.51 127.87 1gm0 n ALA 73 Ca -0.04 -0.97 -0.07 0.00 0.00 0.00 0.00 53.44 52.36 1gm0 n ALA 73 Cb 0.48 -0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.87 1gm0 n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gm0 h MET 74 N 0.49 0.22 -0.23 0.00 2.86 -1.93 0.38 114.93 116.72 1gm0 h MET 74 Ca 0.00 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1gm0 h MET 74 Cb 0.50 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1gm0 h MET 74 CO 0.00 0.89 -0.10 0.93 1.06 0.00 0.00 176.91 179.69 1gm0 h GLU 75 N 0.14 0.46 -0.79 1.72 4.39 -1.89 -0.87 114.58 117.75 1gm0 h GLU 75 Ca -0.03 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.52 1gm0 h GLU 75 Cb 1.35 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 1gm0 h GLU 75 CO 0.12 0.73 0.49 0.35 -1.16 0.00 0.00 179.01 179.54 1gm0 h PHE 76 N 0.18 0.92 -0.41 4.33 3.57 -1.60 -2.41 116.94 121.52 1gm0 h PHE 76 Ca 0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1gm0 h PHE 76 Cb 0.58 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1gm0 h PHE 76 CO 0.06 0.49 0.26 0.00 -2.23 0.00 0.00 178.31 176.90 1gm0 h ALA 77 N 1.36 0.52 0.00 2.41 0.00 -0.11 -1.50 119.26 121.93 1gm0 h ALA 77 Ca 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1gm0 h ALA 77 Cb 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gm0 h ALA 77 CO -0.14 -0.04 -0.03 0.87 0.00 0.00 0.00 179.25 179.90 1gm0 h LYS 78 N 0.53 0.00 0.00 0.00 1.57 -0.16 0.30 116.57 118.82 1gm0 h LYS 78 Ca 0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1gm0 h LYS 78 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1gm0 h LYS 78 CO -0.04 0.03 -0.24 0.87 -0.57 0.00 0.00 179.45 179.49 1gm0 h LYS 79 N 0.00 0.00 -0.02 3.15 1.57 -0.85 -2.83 116.57 117.59 1gm0 h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gm0 h LYS 79 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1gm0 h LYS 79 CO 0.00 0.24 -0.10 0.72 -0.57 0.00 0.00 179.45 179.75 1gm0 n HIS 80 N -3.91 0.00 -0.51 -1.35 8.25 -0.01 -4.97 115.22 112.71 1gm0 n HIS 80 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1gm0 n HIS 80 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1gm0 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm0 n GLY 81 N 1.27 0.75 3.66 -1.41 0.00 -0.70 -4.77 105.19 103.99 1gm0 n GLY 81 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1gm0 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 s ALA 82 N -2.23 3.65 0.95 4.61 0.00 -0.56 -4.93 121.76 123.25 1gm0 s ALA 82 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1gm0 s ALA 82 Cb 0.00 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1gm0 s ALA 82 CO 0.00 -0.96 0.25 -0.40 0.00 0.00 0.00 175.76 174.65 1gm0 n ASP 83 N 6.07 0.04 -0.12 0.00 5.68 -1.26 -1.61 116.55 125.35 1gm0 n ASP 83 Ca 0.10 -1.10 -0.07 0.00 -0.50 0.00 0.00 54.79 53.22 1gm0 n ASP 83 Cb 0.47 -0.19 0.11 0.00 -1.14 0.00 0.00 41.12 40.37 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1gm0 h GLU 84 N 0.00 0.85 -0.05 0.11 4.39 -1.97 -0.37 114.58 117.55 1gm0 h GLU 84 Ca -0.08 -0.27 -0.21 0.00 0.34 0.00 0.00 59.36 59.14 1gm0 h GLU 84 Cb 0.22 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1gm0 h GLU 84 CO 0.06 0.90 -0.83 1.15 -1.16 0.00 0.00 179.01 179.13 1gm0 h THR 85 N 0.77 1.38 -0.03 1.13 2.02 -1.98 -1.20 112.91 115.00 1gm0 h THR 85 Ca 0.13 -2.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.04 1gm0 h THR 85 Cb 0.57 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1gm0 h THR 85 CO 0.03 0.68 0.01 0.24 0.37 0.00 0.00 175.52 176.86 1gm0 h MET 86 N 0.27 0.05 -0.10 6.66 2.86 -1.86 -1.13 114.93 121.69 1gm0 h MET 86 Ca -0.05 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1gm0 h MET 86 Cb 1.44 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.06 1gm0 h MET 86 CO 0.14 0.20 -0.09 0.00 1.06 0.00 0.00 176.91 178.22 1gm0 h ALA 87 N 0.85 -0.02 -0.31 6.32 0.00 -1.06 -2.68 119.26 122.37 1gm0 h ALA 87 Ca 0.01 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1gm0 h ALA 87 Cb 0.17 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1gm0 h ALA 87 CO -0.00 -0.55 -0.12 0.37 0.00 0.00 0.00 179.25 178.94 1gm0 h GLN 88 N -0.11 -0.06 -0.68 0.00 -0.00 -1.12 0.21 115.11 113.34 1gm0 h GLN 88 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 58.86 1gm0 h GLN 88 Cb 0.21 0.01 -0.13 0.00 0.00 0.00 0.00 27.48 27.58 1gm0 h GLN 88 CO -0.17 -0.04 -0.20 1.96 0.00 0.00 0.00 178.83 180.38 1gm0 h GLN 89 N -0.07 -0.03 -0.49 1.69 1.08 -1.03 0.58 115.11 116.84 1gm0 h GLN 89 Ca 0.16 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 1gm0 h GLN 89 Cb 0.30 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1gm0 h GLN 89 CO -0.35 -0.02 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.33 1gm0 h LEU 90 N -0.03 0.91 -0.49 1.46 3.38 -0.69 -2.08 115.31 117.77 1gm0 h LEU 90 Ca 0.32 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1gm0 h LEU 90 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1gm0 h LEU 90 CO -0.71 1.03 0.01 0.40 0.09 0.00 0.00 178.44 179.26 1gm0 h ILE 91 N 0.82 1.26 -0.80 1.22 2.04 -0.31 -0.02 117.51 121.72 1gm0 h ILE 91 Ca 0.13 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1gm0 h ILE 91 Cb 0.64 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1gm0 h ILE 91 CO 0.04 0.37 0.47 -0.78 0.00 0.00 0.00 178.15 178.26 1gm0 h ASP 92 N 0.73 0.97 0.02 1.72 3.58 -0.78 -1.88 116.42 120.78 1gm0 h ASP 92 Ca 0.14 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1gm0 h ASP 92 Cb 0.50 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1gm0 h ASP 92 CO 0.02 0.76 -0.01 0.40 -2.88 0.00 0.00 179.24 177.53 1gm0 h ILE 93 N 1.10 0.99 -0.48 2.25 2.04 -1.12 0.95 117.51 123.23 1gm0 h ILE 93 Ca 0.29 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.22 1gm0 h ILE 93 Cb -0.03 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1gm0 h ILE 93 CO -0.05 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.73 1gm0 h VAL 94 N -0.03 0.68 -0.20 1.67 2.07 -0.39 0.47 116.25 120.52 1gm0 h VAL 94 Ca -0.00 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 67.26 1gm0 h VAL 94 Cb 0.02 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1gm0 h VAL 94 CO 0.00 0.03 -0.66 0.45 0.02 0.00 0.00 177.57 177.41 1gm0 h HIS 95 N 0.17 0.98 -0.13 1.57 3.86 -1.36 0.79 115.15 121.04 1gm0 h HIS 95 Ca 0.24 -0.39 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1gm0 h HIS 95 Cb 0.34 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1gm0 h HIS 95 CO -0.26 1.20 0.24 0.78 0.86 0.00 0.00 177.93 180.75 1gm0 h GLY 96 N 0.75 0.00 0.00 2.45 0.00 -0.16 -1.95 103.07 104.17 1gm0 h GLY 96 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.06 1gm0 h GLY 96 CO 0.14 0.00 -2.13 0.00 0.00 0.00 0.00 176.54 174.55 1gm0 h GLU 98 N 0.00 0.92 0.63 0.00 5.08 -0.45 -1.57 114.58 119.19 1gm0 h GLU 98 Ca -0.37 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1gm0 h GLU 98 Cb 1.82 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.86 1gm0 h GLU 98 CO 0.02 0.61 -0.30 0.87 -1.00 0.00 0.00 179.01 179.21 1gm0 h LYS 99 N 0.95 -0.82 0.00 2.33 1.57 -1.45 -3.30 116.57 115.85 1gm0 h LYS 99 Ca 0.36 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1gm0 h LYS 99 Cb 0.16 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1gm0 h LYS 99 CO -0.17 -0.54 -0.05 0.66 -0.57 0.00 0.00 179.45 178.78 1gm0 h SER 100 N -1.04 0.00 -3.06 0.86 4.64 -1.43 -3.40 113.55 110.12 1gm0 h SER 100 Ca -0.09 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.69 1gm0 h SER 100 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1gm0 h SER 100 CO 0.14 0.05 0.70 -0.89 -0.87 0.00 0.00 176.83 175.96 1gm0 s THR 101 N -3.74 4.00 0.32 2.95 2.01 -0.59 -5.01 115.64 115.58 1gm0 s THR 101 Ca 0.00 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 1gm0 s THR 101 Cb 0.10 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 1gm0 s THR 101 CO 0.55 0.03 1.41 -2.16 -0.69 0.00 0.00 174.62 173.76 1gm0 s PRO 102 N 1.92 4.25 -0.87 4.92 0.04 -1.26 -4.87 135.00 139.12 1gm0 s PRO 102 Ca 0.59 2.36 -0.25 0.00 0.04 0.00 0.00 61.00 63.75 1gm0 s PRO 102 Cb -0.28 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 1gm0 s PRO 102 CO 0.25 -0.37 2.08 0.00 0.04 0.00 0.00 177.00 179.00 1gm0 s ALA 103 N -0.75 1.38 0.32 8.56 0.00 -1.26 -4.87 121.76 125.13 1gm0 s ALA 103 Ca 0.54 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1gm0 s ALA 103 Cb -0.43 -4.56 -0.10 0.00 0.00 0.00 0.00 23.12 18.03 1gm0 s ALA 103 CO 0.53 -5.15 1.20 1.21 0.00 0.00 0.00 175.76 173.55 1gm0 s ASN 104 N 8.84 6.95 0.39 0.00 3.84 -1.26 -4.94 114.94 128.76 1gm0 s ASN 104 Ca 0.77 2.45 0.19 0.00 0.21 0.00 0.00 52.86 56.48 1gm0 s ASN 104 Cb -0.08 -2.63 1.12 0.00 -0.55 0.00 0.00 41.25 39.10 1gm0 s ASN 104 CO 0.02 -0.39 1.74 -0.78 -2.79 0.00 0.00 177.10 174.90 1gm0 h ASP 105 N 3.44 0.45 -3.29 -4.21 3.58 -2.02 -3.37 116.42 111.01 1gm0 h ASP 105 Ca -0.48 0.11 -0.68 0.00 0.42 0.00 0.00 57.03 56.40 1gm0 h ASP 105 Cb 1.22 0.04 -0.18 0.00 1.72 0.00 0.00 39.33 42.13 1gm0 h ASP 105 CO 0.66 0.03 0.07 -0.62 -2.88 0.00 0.00 179.24 176.50 1gm0 s ASP 106 N -5.12 6.24 0.40 2.28 -1.08 -1.26 -4.92 116.67 113.20 1gm0 s ASP 106 Ca -0.09 -0.84 0.10 0.00 -0.52 0.00 0.00 52.55 51.20 1gm0 s ASP 106 Cb 0.26 -2.30 0.89 0.00 -1.46 0.00 0.00 42.92 40.32 1gm0 s ASP 106 CO 0.80 -0.89 1.97 0.50 0.52 0.00 0.00 175.17 178.07 1gm0 h LYS 107 N 8.99 0.56 0.01 4.34 1.63 -1.99 0.13 116.57 130.23 1gm0 h LYS 107 Ca -0.27 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1gm0 h LYS 107 Cb 1.09 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1gm0 h LYS 107 CO 0.96 0.37 -0.00 0.00 -3.45 0.00 0.00 179.45 177.32 1gm0 h ILE 109 N -0.12 1.22 -0.08 0.00 2.04 -1.46 -0.32 117.51 118.80 1gm0 h ILE 109 Ca -0.00 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1gm0 h ILE 109 Cb 0.12 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1gm0 h ILE 109 CO 0.00 0.26 -0.32 -0.25 0.00 0.00 0.00 178.15 177.84 1gm0 h TRP 110 N 0.70 -0.89 -0.92 1.37 7.01 -0.98 -0.66 115.95 121.59 1gm0 h TRP 110 Ca 0.17 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.28 1gm0 h TRP 110 Cb 0.22 0.40 -0.07 0.00 -2.10 0.00 0.00 29.16 27.62 1gm0 h TRP 110 CO 0.01 -0.41 0.57 1.15 -2.79 0.00 0.00 178.44 176.97 1gm0 h THR 111 N -0.43 1.01 -0.45 2.65 2.02 -0.17 0.19 112.91 117.73 1gm0 h THR 111 Ca 0.08 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1gm0 h THR 111 Cb 0.55 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1gm0 h THR 111 CO -0.32 0.18 0.22 0.25 0.37 0.00 0.00 175.52 176.23 1gm0 h LEU 112 N 1.00 0.58 -0.07 2.58 7.12 -0.83 -0.73 115.31 124.96 1gm0 h LEU 112 Ca 0.42 -0.12 0.04 0.00 0.13 0.00 0.00 57.88 58.34 1gm0 h LEU 112 Cb 0.26 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.18 1gm0 h LEU 112 CO -0.20 0.54 -0.31 1.23 -0.13 0.00 0.00 178.44 179.56 1gm0 h GLY 113 N 0.58 -0.47 0.69 3.75 0.00 0.62 0.15 103.07 108.39 1gm0 h GLY 113 Ca 0.16 0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.90 1gm0 h GLY 113 CO -0.02 -0.22 0.03 -2.08 0.00 0.00 0.00 176.54 174.25 1gm0 h VAL 114 N -0.42 0.87 -0.74 4.60 2.07 -0.57 0.50 116.25 122.56 1gm0 h VAL 114 Ca 0.08 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1gm0 h VAL 114 Cb 0.54 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1gm0 h VAL 114 CO -0.31 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.51 1gm0 h ALA 115 N 1.19 0.97 0.20 1.67 0.00 -0.91 0.85 119.26 123.23 1gm0 h ALA 115 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1gm0 h ALA 115 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1gm0 h ALA 115 CO -0.16 0.67 -0.10 1.15 0.00 0.00 0.00 179.25 180.81 1gm0 h THR 116 N 1.11 0.82 -0.74 0.00 2.02 -0.72 -2.33 112.91 113.06 1gm0 h THR 116 Ca 0.23 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1gm0 h THR 116 Cb 0.35 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1gm0 h THR 116 CO -0.00 0.01 0.40 0.00 0.37 0.00 0.00 175.52 176.30 1gm0 h PHE 118 N 0.69 -1.32 -0.86 0.00 3.57 -0.68 -2.81 116.94 115.53 1gm0 h PHE 118 Ca 0.36 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.97 1gm0 h PHE 118 Cb 0.33 0.51 -0.12 0.00 2.79 0.00 0.00 35.95 39.45 1gm0 h PHE 118 CO -0.08 -0.65 -0.43 1.17 -2.23 0.00 0.00 178.31 176.08 1gm0 n LYS 119 N -5.55 -0.30 -0.20 1.11 3.00 -0.89 -0.82 118.16 114.50 1gm0 n LYS 119 Ca -0.12 1.32 -0.01 0.00 -0.00 0.00 0.00 58.31 59.50 1gm0 n LYS 119 Cb 0.45 -1.94 0.22 0.00 0.00 0.00 0.00 35.03 33.76 1gm0 n LYS 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gm0 h ALA 120 N 0.77 1.37 0.00 3.14 0.00 -1.32 -2.04 119.26 121.18 1gm0 h ALA 120 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1gm0 h ALA 120 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gm0 h ALA 120 CO -0.83 0.52 -0.26 0.93 0.00 0.00 0.00 179.25 179.61 1gm0 h GLU 121 N 0.97 0.00 -0.06 0.00 4.39 -0.72 -1.34 114.58 117.81 1gm0 h GLU 121 Ca 0.25 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1gm0 h GLU 121 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1gm0 h GLU 121 CO -0.04 0.26 -0.17 0.82 -1.16 0.00 0.00 179.01 178.72 1gm0 h ILE 122 N 0.00 1.16 0.00 3.13 2.04 -1.00 0.03 117.51 122.86 1gm0 h ILE 122 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1gm0 h ILE 122 Cb 0.55 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1gm0 h ILE 122 CO 0.03 0.21 0.00 -0.74 0.00 0.00 0.00 178.15 177.66 1gm0 h HIS 123 N 0.09 0.00 -0.11 1.37 2.76 -1.22 -2.78 115.15 115.26 1gm0 h HIS 123 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1gm0 h HIS 123 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1gm0 h HIS 123 CO 0.00 0.00 0.00 1.63 -1.30 0.00 0.00 177.93 178.26 1gm0 n LYS 124 N -3.00 1.93 -2.21 5.26 5.02 -0.06 -4.94 118.16 120.16 1gm0 n LYS 124 Ca 0.01 -1.38 -0.27 0.00 -2.02 0.00 0.00 58.31 54.65 1gm0 n LYS 124 Cb 0.32 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gm0 s LEU 125 N -1.81 3.00 0.00 -0.35 1.43 -0.88 -5.01 118.68 115.07 1gm0 s LEU 125 Ca 0.34 0.72 0.18 0.00 -1.03 0.00 0.00 54.13 54.35 1gm0 s LEU 125 Cb 0.20 -3.47 0.52 0.00 0.03 0.00 0.00 46.19 43.47 1gm0 s LEU 125 CO 0.30 -1.32 1.42 -3.20 0.23 0.00 0.00 176.35 173.78 1gm0 n ASN 126 N -2.81 2.57 -4.04 2.29 5.15 -1.26 -4.95 115.26 112.21 1gm0 n ASN 126 Ca 0.06 -1.92 -0.11 0.00 -0.60 0.00 0.00 54.58 52.01 1gm0 n ASN 126 Cb 0.59 -0.26 -0.07 0.00 -0.53 0.00 0.00 39.78 39.50 1gm0 n ASN 126 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1gm0 s TRP 127 N -1.49 0.80 -0.20 1.20 1.48 -1.26 -5.16 118.94 114.32 1gm0 s TRP 127 Ca 0.34 -1.08 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 1gm0 s TRP 127 Cb 0.19 -0.19 0.03 0.00 -1.16 0.00 0.00 33.47 32.34 1gm0 s TRP 127 CO 0.25 -0.83 -0.15 0.00 -4.06 0.00 0.00 176.95 172.16 1gm0 s ALA 128 N -4.02 2.26 0.65 2.67 0.00 -1.26 -4.94 121.76 117.13 1gm0 s ALA 128 Ca 0.31 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1gm0 s ALA 128 Cb 0.03 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1gm0 s ALA 128 CO 0.11 -0.66 1.09 -1.25 0.00 0.00 0.00 175.76 175.05 1gm0 s PRO 129 N 1.29 2.91 0.89 0.00 0.05 -1.26 -5.04 135.00 133.84 1gm0 s PRO 129 Ca 0.00 1.28 -0.11 0.00 0.05 0.00 0.00 61.00 62.22 1gm0 s PRO 129 Cb -0.15 -1.97 0.12 0.00 0.05 0.00 0.00 34.50 32.55 1gm0 s PRO 129 CO -0.10 -1.14 1.13 0.43 0.05 0.00 0.00 177.00 177.37 1gm0 n SER 130 N -2.47 0.42 0.01 6.66 7.64 -1.26 -4.88 113.62 119.74 1gm0 n SER 130 Ca 0.09 0.47 -0.11 0.00 1.01 0.00 0.00 58.87 60.33 1gm0 n SER 130 Cb 0.52 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 1gm0 n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1gm0 h MET 131 N -1.60 0.09 -0.10 1.43 2.86 -1.97 -2.53 114.93 113.12 1gm0 h MET 131 Ca -0.44 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1gm0 h MET 131 Cb 1.28 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1gm0 h MET 131 CO 0.42 0.07 0.10 -0.44 1.06 0.00 0.00 176.91 178.12 1gm0 h ASP 132 N 0.09 0.00 0.37 1.22 5.19 -1.97 0.34 116.42 121.67 1gm0 h ASP 132 Ca 0.03 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1gm0 h ASP 132 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1gm0 h ASP 132 CO -0.01 0.00 -0.18 0.58 -3.12 0.00 0.00 179.24 176.52 1gm0 h VAL 133 N 0.00 0.00 0.00 -1.35 2.07 -1.90 0.40 116.25 115.48 1gm0 h VAL 133 Ca 0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1gm0 h VAL 133 Cb 0.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1gm0 h VAL 133 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1gm0 n ALA 134 N -2.51 1.34 -0.07 1.67 0.00 0.16 -0.69 120.51 120.41 1gm0 n ALA 134 Ca -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1gm0 n ALA 134 Cb 0.20 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1gm0 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gm0 n VAL 135 N -1.37 0.93 -0.05 0.00 0.31 0.97 -4.47 118.33 114.66 1gm0 n VAL 135 Ca 0.02 -0.53 -0.10 0.00 -0.01 0.00 0.00 64.34 63.72 1gm0 n VAL 135 Cb 0.04 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.19 1gm0 n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1gm0 h GLY 136 N 2.36 0.30 0.31 2.92 0.00 0.88 -3.29 103.07 106.55 1gm0 h GLY 136 Ca -0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1gm0 h GLY 136 CO 0.00 0.13 -0.03 0.83 0.00 0.00 0.00 176.54 177.47 1gm0 h GLU 137 N 0.22 -0.09 0.00 4.80 5.08 -1.13 -2.74 114.58 120.72 1gm0 h GLU 137 Ca 0.07 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1gm0 h GLU 137 Cb 0.07 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1gm0 h GLU 137 CO -0.01 0.48 -0.00 0.97 -1.00 0.00 0.00 179.01 179.45 1gm0 h ILE 138 N -0.79 0.71 0.08 3.13 2.10 -1.78 0.44 117.51 121.40 1gm0 h ILE 138 Ca -0.01 -0.01 -0.27 0.00 1.08 0.00 0.00 64.86 65.65 1gm0 h ILE 138 Cb 0.61 1.01 0.01 0.00 -1.09 0.00 0.00 36.82 37.36 1gm0 h ILE 138 CO 0.02 0.00 -1.14 -0.07 -1.08 0.00 0.00 178.15 175.88 1gm0 h LEU 139 N 0.00 0.66 -0.64 2.19 3.38 -1.62 0.07 115.31 119.35 1gm0 h LEU 139 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1gm0 h LEU 139 Cb 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1gm0 h LEU 139 CO 0.00 1.42 0.10 0.00 0.09 0.00 0.00 178.44 180.06 1gm0 n ALA 140 N -2.60 0.86 0.01 1.53 0.00 0.11 -4.27 120.51 116.14 1gm0 n ALA 140 Ca -0.10 0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1gm0 n ALA 140 Cb 0.94 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.41 1gm0 n ALA 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gm0 n GLU 141 N -1.82 0.03 0.00 0.00 1.02 -0.97 -1.23 120.64 117.67 1gm0 n GLU 141 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1gm0 n GLU 141 Cb 0.12 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59